Dataset

Linalool 60/400/900 MHz in CDCl3 NMR data.2d

NMR data for linalool contains: 1H NMR acquired at 60 MHz, as well as 1D: 1H,13C 2D: COSY, HSQC and HMBC acquired 400 MHz, as well as 1D: 1H 2D: COSY acquired 900 MHz (Bruker AVANCE NMR, 5mm TCI cryogenic probe) in CDCl3 (2019-10-07)

https://doi.org/10.7910/DVN/KUEDTG, Harvard Dataverse, V2

Chemical Info

molecular Image
InChI InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
SMILES C=CC(C)(O)CCC=C(C)C
InChI Key CDOSHBSSFJOMGT-UHFFFAOYSA-N
Molecular Formula C10H18O
Exact Mass 154.250 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p33.s210.d1107
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D1107
Version
Author Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language english
MetadataCreated 2024-04-22T17:00:24.483097
MetadataModified 2024-04-22T17:00:24.483103
MetadataPublished 2023-12-21 14:26:13
Field Value
Measurement Technique 2
Measurement Variables
NMR solvent : CHLOROFORM-D

acquisition nucleus : 1H , 13C

NMR spectrum by dimensionality : 2

NMR probe : 3448

Temperature : 298.15 K

irradiation frequency : 399.79256015247455 MHz , 100.54933803934405 MHz

magnetic field strength : 9.389766 Tesla

number of scans : 8 scans

nuclear magnetic resonance pulse sequence : hsqcad_auto.jxp

Spectral Width : 18.74521883806515 , 170.1050644511075

number of data points : 1024 points

relaxation time measurement : 1.5 seconds